Home Halogens Tryptophan, N-acetyl-7-chloro-

Tryptophan, N-acetyl-7-chloro-

CAS No.:
77290-47-2
Catalog Number:
AG00G3QC
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
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Product Description
Catalog Number:
AG00G3QC
Chemical Name:
Tryptophan, N-acetyl-7-chloro-
CAS Number:
77290-47-2
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
MDL Number:
MFCD22384588
IUPAC Name:
2-acetamido-3-(7-chloro-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C13H13ClN2O3/c1-7(17)16-11(13(18)19)5-8-6-15-12-9(8)3-2-4-10(12)14/h2-4,6,11,15H,5H2,1H3,(H,16,17)(H,18,19)
InChI Key:
KHKMVRUWPPZUMF-UHFFFAOYSA-N
SMILES:
CC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2Cl
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.061g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
280.708g/mol
Monoisotopic Mass:
280.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties